2025年5月1日、精密無機材料化学研究セミナーを開催します。是非ご参加ください。

■ 演題：Nanocluster Catalysis: Breaking Conventions Through Machine Learning and Artificial Intelligence
■ 講師：Biswarup Pathak (Department of Chemistry, IIT Indore, MP, Indore 453552)
■ 日時：2025年5月1日（木）10:00-11:30
■ 場所：多元物質科学研究所 材料物性棟1号館（南総合研究棟Ⅱ） 4階 セミナー室

■ 講演内容：Nanoclusters are pivotal catalysts due to their high surface area and distinct structure-activity relationships. However, conventional approaches often center on larger clusters, overlooking the unique catalytic behaviors of smaller, subnanometer clusters. Recent findings demonstrate that the atomicity of these clusters can dramatically influence their catalytic properties, with even a single atom modification causing significant changes in activity. This talk will explore how machine learning is transforming our understanding of nanocluster catalysis, particularly in examining electronic structures and the impact of external factors. We will also showcase our work on applying machine learning to optimize the catalytic performance of platinum-based nanoclusters in the oxygen reduction reaction (ORR), with a focus on the critical roles of atomicity and relativistic effects.